2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-[3-fluoro-4-(trifluoromethyl)benzoyl]-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C33H32F5NO5 — CID 153431138

About 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-[3-fluoro-4-(trifluoromethyl)benzoyl]-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-[3-fluoro-4-(trifluoromethyl)benzoyl]-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 153431138) has the molecular formula C33H32F5NO5 and a molecular weight of 617.61 g/mol. Its IUPAC name is 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-[3-fluoro-4-(trifluoromethyl)benzoyl]-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

• Compound Name: 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-[3-fluoro-4-(trifluoromethyl)benzoyl]-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• PubChem CID: 153431138
• Molecular Formula: C33H32F5NO5
• Molecular Weight: 617.61 g/mol
• Exact Mass: 617.22
• IUPAC Name: 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-[3-fluoro-4-(trifluoromethyl)benzoyl]-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• SMILES: Cc1cc2c(c(-c3cc(F)c4c(c3C)CCCO4)c1C(OC(C)(C)C)C(=O)O)CCN2C(=O)c1ccc(C(F)(F)F)c(F)c1
• InChI: InChI=1S/C33H32F5NO5/c1-16-13-25-20(10-11-39(25)30(40)18-8-9-22(23(34)14-18)33(36,37)38)27(26(16)29(31(41)42)44-32(3,4)5)21-15-24(35)28-19(17(21)2)7-6-12-43-28/h8-9,13-15,29H,6-7,10-12H2,1-5H3,(H,41,42)
• InChIKey: FRIUGIKYTQOFCQ-UHFFFAOYSA-N
• XLogP: 7.74
• TPSA: 76.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.61
LogP ≤ 5	7.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-[3-fluoro-4-(trifluoromethyl)benzoyl]-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The IUPAC name of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-[3-fluoro-4-(trifluoromethyl)benzoyl]-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 153431138) is 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-[3-fluoro-4-(trifluoromethyl)benzoyl]-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

What is the SMILES notation for 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-[3-fluoro-4-(trifluoromethyl)benzoyl]-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The canonical SMILES for 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-[3-fluoro-4-(trifluoromethyl)benzoyl]-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1cc2c(c(-c3cc(F)c4c(c3C)CCCO4)c1C(OC(C)(C)C)C(=O)O)CCN2C(=O)c1ccc(C(F)(F)F)c(F)c1.

What is the InChIKey of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-[3-fluoro-4-(trifluoromethyl)benzoyl]-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The InChIKey is FRIUGIKYTQOFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F5NO5/c1-16-13-25-20(10-11-39(25)30(40)18-8-9-22(23(34)14-18)33(36,37)38)27(26(16)29(31(41)42)44-32(3,4)5)21-15-24(35)28-19(17(21)2)7-6-12-43-28/h8-9,13-15,29H,6-7,10-12H2,1-5H3,(H,41,42).

What are the key properties of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-[3-fluoro-4-(trifluoromethyl)benzoyl]-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-[3-fluoro-4-(trifluoromethyl)benzoyl]-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 617.61 g/mol, XLogP of 7.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-[3-fluoro-4-(trifluoromethyl)benzoyl]-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 153431138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).